Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Diego J. Alonso de Armiño"'
Publikováno v:
Computational Techniques for Analytical Chemistry and Bioanalysis ISBN: 9781788014618
In this chapter, we present a brief analysis of the state of the art in the field of computational vibrational spectroscopy. We discuss the latest achievements in the modelling of vibrational spectroscopy experiments applied to various physical and c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cfc2d2db65fa10e914a21d2ebffeb5ce
https://doi.org/10.1039/9781788015882-00069
https://doi.org/10.1039/9781788015882-00069
Publikováno v:
Journal of Molecular Structure. 1132:88-94
In the present work we report a combined experimental and theoretical study on the molecular structure and vibrational spectra of m-chlorosulfinylaniline. The substance was characterized by 1H and 13C NMR and GC-mass spectrometry as well as by FT-IR
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7047c3db8ee8a42ce96c03cc09daeee2
https://doi.org/10.1016/j.molstruc.2016.11.024
https://doi.org/10.1016/j.molstruc.2016.11.024
Autor:
Holger A. Scheidt, Tobias Abel, Peter Müller, Markus Fischer, Daniel Huster, Santiago Di Lella, Ivan Haralampiev, Diego J. Alonso de Armiño, Meike Luck
Publikováno v:
Biochimica et Biophysica Acta (BBA) - Biomembranes. 1862:183414
Lapatinib and tofacitinib are small-molecule kinase inhibitors approved for the treatment of advanced or metastatic breast cancer and rheumatoid arthritis, respectively. So far, the mechanisms which are responsible for their activities are not entire
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::105b19ce04f5b01d0c549450d371fecc
https://doi.org/10.1016/j.bbamem.2020.183414
https://doi.org/10.1016/j.bbamem.2020.183414
Autor:
Nicolás O. Foglia, Darío A. Estrin, Francisco F. Ramírez, Mariano C. González Lebrero, Uriel N. Morzan, Diego J. Alonso de Armiño, Damián A. Scherlis
Publikováno v:
Chemical reviews. 118(7)
The applications of multiscale quantum-classical (QM-MM) approaches have shown an extraordinary expansion and diversification in the last couple of decades. A great proportion of these efforts have been devoted to interpreting and reproducing spectro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7afea1a0059055ffa98ebc13c13f3039
https://pubmed.ncbi.nlm.nih.gov/29561145
https://pubmed.ncbi.nlm.nih.gov/29561145
Autor:
Edgardo Hugo Cutin, Doly M. Chemes, Diego J. Alonso de Armiño, Norma Lis Robles, Heinz Oberhammer
Publikováno v:
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
p-Cholorosulfinylaniline was prepared by the reaction of p-chloroaniline and SOCl2. The structural, conformational and configurational properties of the obtained liquid compound were studied by Raman and infrared spectroscopy in the liquid state. The
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::89eaea8985f73bcd4fe8bb8bfa7caf60
https://www.sciencedirect.com/science/article/pii/S0022286016306548
https://www.sciencedirect.com/science/article/pii/S0022286016306548
Publikováno v:
Journal of Molecular Structure. 978:220-228
Water molecules, rigidly associated to protein surfaces, play a key role in stabilizing biomolecules and participating in their biological functions. Recent studies on the solvation properties of the carbohydrate recognition domain of Galectin-1 by m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7520d233e1d36ac33cbf4eeed7bb3711
https://doi.org/10.1016/j.molstruc.2010.03.008
https://doi.org/10.1016/j.molstruc.2010.03.008